2-[(3aS,4R,8R,8aS)-4-(cyanomethyl)-2,2-dimethyl-6-oxidanylidene-5,7-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]ethanenitrile

Systemtic Name: 2-[(3aS,4R,8R,8aS)-4-(cyanomethyl)-2,2-dimethyl-6-oxidanylidene-5,7-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]ethanenitrile Openeye Name: 2-[(3aS,4R,8R,8aS)-5,7-dibenzyl-4-(cyanomethyl)-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]acetonitrile CAS Name: 2-[(3aS,4R,8R,8aS)-4-(cyanomethyl)-2,2-dimethyl-6-oxo-5,7-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]acetonitrile IUPAC Name: 2-[(3aS,4R,8R,8aS)-5,7-dibenzyl-4-(cyanomethyl)-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]acetonitrile Traditional Name: 2-[(3aS,4R,8R,8aS)-5,7-dibenzyl-4-(cyanomethyl)-6-keto-2,2-dimethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]acetonitrile Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(=O)N(C(C2O1)CC#N)CC3=CC=CC=C3)CC4=CC=CC=C4)CC#N)C

Isomeric SMILES

CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC#N)CC3=CC=CC=C3)CC4=CC=CC=C4)CC#N)C

InChI

InChI=1S/C26H28N4O3/c1-26(2)32-23-21(13-15-27)29(17-19-9-5-3-6-10-19)25(31)30(18-20-11-7-4-8-12-20)22(14-16-28)24(23)33-26/h3-12,21-24H,13-14,17-18H2,1-2H3/t21-,22-,23+,24+/m1/s1