2-[5-[4-(aminomethyl)phenyl]-2,4-bis(oxidanylidene)-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-methoxyphenyl)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-methoxyphenyl)methyl]ethanamide hydrochloride Openeye Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide hydrochloride CAS Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide hydrochloride IUPAC Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide hydrochloride Traditional Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-diketo-1-(4-phenylbenzyl)-1,5-benzodiazepin-3-yl]-N-o-anisyl-acetamide hydrochloride Formula: C39H37ClN4O4 MolecularWeight: 661.18848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CC2C(=O)N(C3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)CN)CC5=CC=C(C=C5)C6=CC=CC=C6.Cl

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CC2C(=O)N(C3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)CN)CC5=CC=C(C=C5)C6=CC=CC=C6.Cl

InChI

InChI=1S/C39H36N4O4.ClH/c1-47-36-14-8-5-11-31(36)25-41-37(44)23-33-38(45)42(26-28-15-19-30(20-16-28)29-9-3-2-4-10-29)34-12-6-7-13-35(34)43(39(33)46)32-21-17-27(24-40)18-22-32;/h2-22,33H,23-26,40H2,1H3,(H,41,44);1H