N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]-4-nitro-benzamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-31-20-12-8-17(9-13-20)21-5-3-2-4-16-25(21)22(27)14-15-24-23(28)18-6-10-19(11-7-18)26(29)30/h6-13,21H,2-5,14-16H2,1H3,(H,24,28)/t21-/m1/s1