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

Systemtic Name: 6-[4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidino]nicotinonitrile Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c25-17-21-7-8-23(26-18-21)28-13-9-22(10-14-28)24(30)29-12-4-11-27(15-16-29)19-20-5-2-1-3-6-20/h1-3,5-8,18,22H,4,9-16,19H2