[6-(1,4-diazepan-1-yl)pyridin-3-yl]-(4-oxidanyl-4-phenyl-piperidin-1-yl)methanone

Systemtic Name: [6-(1,4-diazepan-1-yl)pyridin-3-yl]-(4-oxidanyl-4-phenyl-piperidin-1-yl)methanone Openeye Name: [6-(1,4-diazepan-1-yl)-3-pyridyl]-(4-hydroxy-4-phenyl-1-piperidyl)methanone CAS Name: [6-(1,4-diazepan-1-yl)-3-pyridinyl]-(4-hydroxy-4-phenyl-1-piperidinyl)methanone IUPAC Name: [6-(1,4-diazepan-1-yl)pyridin-3-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone Traditional Name: [6-(1,4-diazepan-1-yl)-3-pyridyl]-(4-hydroxy-4-phenyl-piperidino)methanone Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CNCCN(C1)C2=NC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H28N4O2/c27-21(18-7-8-20(24-17-18)25-13-4-11-23-12-16-25)26-14-9-22(28,10-15-26)19-5-2-1-3-6-19/h1-3,5-8,17,23,28H,4,9-16H2