1-[(3-aminophenyl)methyl]-3-(1H-indazol-5-ylmethyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one

Systemtic Name: 1-[(3-aminophenyl)methyl]-3-(1H-indazol-5-ylmethyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: 1-[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one CAS Name: 1-[(3-aminophenyl)methyl]-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: 1-[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one Traditional Name: 1-(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one Formula: C34H35N5O3 MolecularWeight: 561.6734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC(=CC=C3)N)CC4=CC5=C(C=C4)NN=C5)CC6=CC=CC=C6)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC(=CC=C3)N)CC4=CC5=C(C=C4)NN=C5)CC6=CC=CC=C6)O)O

InChI

InChI=1S/C34H35N5O3/c35-28-13-7-12-25(17-28)21-38-30(18-23-8-3-1-4-9-23)32(40)33(41)31(19-24-10-5-2-6-11-24)39(34(38)42)22-26-14-15-29-27(16-26)20-36-37-29/h1-17,20,30-33,40-41H,18-19,21-22,35H2,(H,36,37)