3-[2-(4-methoxyphenyl)azepan-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]carbonylchromen-2-one Openeye Name: 3-[2-(4-methoxyphenyl)azepane-1-carbonyl]chromen-2-one CAS Name: 3-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-methoxyphenyl)azepane-1-carbonyl]chromen-2-one Traditional Name: 3-[2-(4-methoxyphenyl)azepane-1-carbonyl]coumarin Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H23NO4/c1-27-18-12-10-16(11-13-18)20-8-3-2-6-14-24(20)22(25)19-15-17-7-4-5-9-21(17)28-23(19)26/h4-5,7,9-13,15,20H,2-3,6,8,14H2,1H3