5-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[3-keto-3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCCCC2C3=CC=C(C=C3)OC)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCCC[C@H]2C3=CC=C(C=C3)OC)C)C#N

InChI

InChI=1S/C24H29N3O3/c1-16-20(17(2)26-24(29)21(16)15-25)12-13-23(28)27-14-6-4-5-7-22(27)18-8-10-19(30-3)11-9-18/h8-11,22H,4-7,12-14H2,1-3H3,(H,26,29)/t22-/m0/s1