2-[1-[4-(aminomethyl)phenyl]-7-chloranyl-2,4-bis(oxidanylidene)-5-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide hydrochloride

Systemtic Name: 2-[1-[4-(aminomethyl)phenyl]-7-chloranyl-2,4-bis(oxidanylidene)-5-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide hydrochloride Openeye Name: 2-[1-[4-(aminomethyl)phenyl]-7-chloro-2,4-dioxo-5-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride CAS Name: 2-[1-[4-(aminomethyl)phenyl]-7-chloro-2,4-dioxo-5-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride IUPAC Name: 2-[1-[4-(aminomethyl)phenyl]-7-chloro-2,4-dioxo-5-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride Traditional Name: 2-[1-[4-(aminomethyl)phenyl]-7-chloro-2,4-diketo-5-(4-phenylbenzyl)-1,5-benzodiazepin-3-yl]-N-(2-fluorobenzyl)acetamide hydrochloride Formula: C38H33Cl2FN4O3 MolecularWeight: 683.598023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=CC(=C4)Cl)N(C(=O)C(C3=O)CC(=O)NCC5=CC=CC=C5F)C6=CC=C(C=C6)CN.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=CC(=C4)Cl)N(C(=O)C(C3=O)CC(=O)NCC5=CC=CC=C5F)C6=CC=C(C=C6)CN.Cl

InChI

InChI=1S/C38H32ClFN4O3.ClH/c39-30-16-19-34-35(20-30)43(24-26-10-14-28(15-11-26)27-6-2-1-3-7-27)37(46)32(21-36(45)42-23-29-8-4-5-9-33(29)40)38(47)44(34)31-17-12-25(22-41)13-18-31;/h1-20,32H,21-24,41H2,(H,42,45);1H