6-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile

Systemtic Name: 6-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile Openeye Name: 6-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]amino]pyridine-3-carbonitrile CAS Name: 6-[[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]amino]-3-pyridinecarbonitrile IUPAC Name: 6-[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile Traditional Name: 6-[[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]amino]nicotinonitrile Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC=C(C=C4)C#N

InChI

InChI=1S/C26H31N5O2/c1-3-32-23-15-21(16-24(33-4-2)26(23)31-11-5-6-12-31)19-30-13-9-22(10-14-30)29-25-8-7-20(17-27)18-28-25/h5-8,11-12,15-16,18,22H,3-4,9-10,13-14,19H2,1-2H3,(H,28,29)