4-azanyl-N-[1-[2-(azepan-1-yl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]piperidin-4-yl]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: 4-azanyl-N-[1-[2-(azepan-1-yl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]piperidin-4-yl]-5-chloranyl-2-methoxy-benzamide Openeye Name: 4-amino-N-[1-[2-(azepan-1-yl)-2-oxo-1-(4-piperidyl)ethyl]-4-piperidyl]-5-chloro-2-methoxy-benzamide CAS Name: 4-amino-N-[1-[2-(1-azepanyl)-2-oxo-1-(4-piperidinyl)ethyl]-4-piperidinyl]-5-chloro-2-methoxybenzamide IUPAC Name: 4-amino-N-[1-[2-(azepan-1-yl)-2-oxo-1-piperidin-4-ylethyl]piperidin-4-yl]-5-chloro-2-methoxybenzamide Traditional Name: 4-amino-N-[1-[2-(azepan-1-yl)-2-keto-1-(4-piperidyl)ethyl]-4-piperidyl]-5-chloro-2-methoxy-benzamide Formula: C26H40ClN5O3 MolecularWeight: 506.0805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C(C3CCNCC3)C(=O)N4CCCCCC4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C(C3CCNCC3)C(=O)N4CCCCCC4)Cl)N

InChI

InChI=1S/C26H40ClN5O3/c1-35-23-17-22(28)21(27)16-20(23)25(33)30-19-8-14-31(15-9-19)24(18-6-10-29-11-7-18)26(34)32-12-4-2-3-5-13-32/h16-19,24,29H,2-15,28H2,1H3,(H,30,33)