6-azanyl-8-(2-methoxyphenyl)-2-propyl-3,8a-dihydro-1H-isoquinoline-5,7-dicarbonitrile

Systemtic Name: 6-azanyl-8-(2-methoxyphenyl)-2-propyl-3,8a-dihydro-1H-isoquinoline-5,7-dicarbonitrile Openeye Name: 6-amino-8-(2-methoxyphenyl)-2-propyl-3,8a-dihydro-1H-isoquinoline-5,7-dicarbonitrile CAS Name: 6-amino-8-(2-methoxyphenyl)-2-propyl-3,8a-dihydro-1H-isoquinoline-5,7-dicarbonitrile IUPAC Name: 6-amino-8-(2-methoxyphenyl)-2-propyl-3,8a-dihydro-1H-isoquinoline-5,7-dicarbonitrile Traditional Name: 6-amino-8-(2-methoxyphenyl)-2-propyl-3,8a-dihydro-1H-isoquinoline-5,7-dicarbonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(=C(C(=C2C#N)N)C#N)C3=CC=CC=C3OC

Isomeric SMILES

CCCN1CC=C2C(C1)C(=C(C(=C2C#N)N)C#N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H22N4O/c1-3-9-25-10-8-14-16(11-22)21(24)17(12-23)20(18(14)13-25)15-6-4-5-7-19(15)26-2/h4-8,18H,3,9-10,13,24H2,1-2H3