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

Systemtic Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-bis(oxidanylidene)-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide hydrochloride Openeye Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride CAS Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride IUPAC Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride Traditional Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-diketo-1-(4-phenylbenzyl)-1,5-benzodiazepin-3-yl]-N-(2-fluorobenzyl)acetamide hydrochloride Formula: C38H34ClFN4O3 MolecularWeight: 649.152963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=CC=CC=C4N(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=CC=CC=C4N(C(=O)C(C3=O)CC(=O)NCC5=CC=CC=C5F)C6=CC=C(C=C6)CN.Cl

InChI

InChI=1S/C38H33FN4O3.ClH/c39-33-11-5-4-10-30(33)24-41-36(44)22-32-37(45)42(25-27-14-18-29(19-15-27)28-8-2-1-3-9-28)34-12-6-7-13-35(34)43(38(32)46)31-20-16-26(23-40)17-21-31;/h1-21,32H,22-25,40H2,(H,41,44);1H