6-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-p-anisyl-1,4-diazepane-1-carbonyl)piperidino]nicotinonitrile Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C25H31N5O2/c1-32-23-6-3-20(4-7-23)19-28-11-2-12-30(16-15-28)25(31)22-9-13-29(14-10-22)24-8-5-21(17-26)18-27-24/h3-8,18,22H,2,9-16,19H2,1H3