(1S,3S,4R)-4-(dipropylamino)-3-methoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S,3S,4R)-4-(dipropylamino)-3-methoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-4-(dipropylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-4-(dipropylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-4-(dipropylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-4-(dipropylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1C(N(C(C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCN(CCC)[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H29N3O2/c1-4-15-26(16-5-2)22-20-14-10-9-13-19(20)21(17-25)27(24(22)29-3)23(28)18-11-7-6-8-12-18/h6-14,21-22,24H,4-5,15-16H2,1-3H3/t21-,22-,24+/m1/s1