7-(1H-indazol-5-ylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methyl]-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one

Systemtic Name: 7-(1H-indazol-5-ylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methyl]-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Openeye Name: 4,8-dibenzyl-7-(1H-indazol-5-ylmethyl)-2,2-dimethyl-5-(m-tolylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one CAS Name: 7-(1H-indazol-5-ylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methyl]-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one IUPAC Name: 4,8-dibenzyl-7-(1H-indazol-5-ylmethyl)-2,2-dimethyl-5-[(3-methylphenyl)methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Traditional Name: 4,8-dibenzyl-7-(1H-indazol-5-ylmethyl)-2,2-dimethyl-5-(3-methylbenzyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Formula: C38H40N4O3 MolecularWeight: 600.7492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(C3C(C(N(C2=O)CC4=CC5=C(C=C4)NN=C5)CC6=CC=CC=C6)OC(O3)(C)C)CC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(C3C(C(N(C2=O)CC4=CC5=C(C=C4)NN=C5)CC6=CC=CC=C6)OC(O3)(C)C)CC7=CC=CC=C7

InChI

InChI=1S/C38H40N4O3/c1-26-11-10-16-29(19-26)24-41-33(21-27-12-6-4-7-13-27)35-36(45-38(2,3)44-35)34(22-28-14-8-5-9-15-28)42(37(41)43)25-30-17-18-32-31(20-30)23-39-40-32/h4-20,23,33-36H,21-22,24-25H2,1-3H3,(H,39,40)