1-[1-[2-(4-chloranylphenoxy)pyridin-3-yl]carbonylpiperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-[2-(4-chloranylphenoxy)pyridin-3-yl]carbonylpiperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-[[2-(4-chlorophenoxy)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-[2-(4-chlorophenoxy)nicotinoyl]-4-piperidyl]-1,4-diazepan-5-one Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(=O)NCC2)C(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1N2CCC(=O)NCC2)C(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O3/c23-16-3-5-18(6-4-16)30-21-19(2-1-10-25-21)22(29)27-12-7-17(8-13-27)26-14-9-20(28)24-11-15-26/h1-6,10,17H,7-9,11-15H2,(H,24,28)