1-(1-adamantylcarbonyl)-2-(4-butoxy-3-methoxy-phenyl)-2,10b-dihydro-1H-pyrrolo[2,1-a]isoquinoline-3,3-dicarbonitrile

Systemtic Name: 1-(1-adamantylcarbonyl)-2-(4-butoxy-3-methoxy-phenyl)-2,10b-dihydro-1H-pyrrolo[2,1-a]isoquinoline-3,3-dicarbonitrile Openeye Name: 1-(adamantane-1-carbonyl)-2-(4-butoxy-3-methoxy-phenyl)-2,10b-dihydro-1H-pyrrolo[2,1-a]isoquinoline-3,3-dicarbonitrile CAS Name: 1-[1-adamantyl(oxo)methyl]-2-(4-butoxy-3-methoxyphenyl)-2,10b-dihydro-1H-pyrrolo[2,1-a]isoquinoline-3,3-dicarbonitrile IUPAC Name: 1-(adamantane-1-carbonyl)-2-(4-butoxy-3-methoxyphenyl)-2,10b-dihydro-1H-pyrrolo[2,1-a]isoquinoline-3,3-dicarbonitrile Traditional Name: 1-(adamantane-1-carbonyl)-2-(4-butoxy-3-methoxy-phenyl)-2,10b-dihydro-1H-pyrrol[2,1-a]isoquinoline-3,3-dicarbonitrile Formula: C36H39N3O3 MolecularWeight: 561.71316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(C3C4=CC=CC=C4C=CN3C2(C#N)C#N)C(=O)C56CC7CC(C5)CC(C7)C6)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(C3C4=CC=CC=C4C=CN3C2(C#N)C#N)C(=O)C56CC7CC(C5)CC(C7)C6)OC

InChI

InChI=1S/C36H39N3O3/c1-3-4-13-42-29-10-9-27(17-30(29)41-2)32-31(34(40)35-18-23-14-24(19-35)16-25(15-23)20-35)33-28-8-6-5-7-26(28)11-12-39(33)36(32,21-37)22-38/h5-12,17,23-25,31-33H,3-4,13-16,18-20H2,1-2H3