4-(1-oxidanylbutan-2-yl)-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-2-carbonitrile

Systemtic Name: 4-(1-oxidanylbutan-2-yl)-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-2-carbonitrile Openeye Name: 1-[2-(5-benzyloxy-1H-indol-3-yl)ethyl]-4-[1-(hydroxymethyl)propyl]-3,6-dihydro-2H-pyridine-2-carbonitrile CAS Name: 4-(1-hydroxybutan-2-yl)-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-2-carbonitrile IUPAC Name: 4-(1-hydroxybutan-2-yl)-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-2-carbonitrile Traditional Name: 1-[2-(5-benzoxy-1H-indol-3-yl)ethyl]-4-(1-methylolpropyl)-3,6-dihydro-2H-pyridine-2-carbonitrile Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)C1=CCN(C(C1)C#N)CCC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC(CO)C1=CCN(C(C1)C#N)CCC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-2-21(18-31)22-10-12-30(24(14-22)16-28)13-11-23-17-29-27-9-8-25(15-26(23)27)32-19-20-6-4-3-5-7-20/h3-10,15,17,21,24,29,31H,2,11-14,18-19H2,1H3