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

Systemtic Name: (1S,3S,4R)-3-methoxy-2-(phenylcarbonyl)-4-piperidin-1-yl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(1-piperidyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(1-piperidinyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-piperidin-1-yl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-piperidino-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1C(=O)C3=CC=CC=C3)C#N)N4CCCCC4

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@H](N1C(=O)C3=CC=CC=C3)C#N)N4CCCCC4

InChI

InChI=1S/C23H25N3O2/c1-28-23-21(25-14-8-3-9-15-25)19-13-7-6-12-18(19)20(16-24)26(23)22(27)17-10-4-2-5-11-17/h2,4-7,10-13,20-21,23H,3,8-9,14-15H2,1H3/t20-,21-,23+/m1/s1