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

Systemtic Name: 1-(1H-indazol-5-ylmethyl)-3-[(3-methylphenyl)methyl]-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: 4,7-dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-3-(m-tolylmethyl)-1,3-diazepan-2-one CAS Name: 5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-3-[(3-methylphenyl)methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: 4,7-dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-3-[(3-methylphenyl)methyl]-1,3-diazepan-2-one Traditional Name: 4,7-dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-3-(3-methylbenzyl)-1,3-diazepan-2-one Formula: C35H36N4O3 MolecularWeight: 560.68534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(C(C(C(N(C2=O)CC3=CC4=C(C=C3)NN=C4)CC5=CC=CC=C5)O)O)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(C(C(C(N(C2=O)CC3=CC4=C(C=C3)NN=C4)CC5=CC=CC=C5)O)O)CC6=CC=CC=C6

InChI

InChI=1S/C35H36N4O3/c1-24-9-8-14-27(17-24)22-38-31(19-25-10-4-2-5-11-25)33(40)34(41)32(20-26-12-6-3-7-13-26)39(35(38)42)23-28-15-16-30-29(18-28)21-36-37-30/h2-18,21,31-34,40-41H,19-20,22-23H2,1H3,(H,36,37)