[2-[(3-oxidanylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]naphthalen-1-yl] 2-chloranylbenzoate

Systemtic Name: [2-[(3-oxidanylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]naphthalen-1-yl] 2-chloranylbenzoate Openeye Name: [2-[(3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]-1-naphthyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2-[(3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]-1-naphthalenyl] ester IUPAC Name: [2-[(3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]naphthalen-1-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-[(3-keto-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-2-ylidene)methyl]-1-naphthyl] ester Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=CC3=C(C4=CC=CC=C4C=C3)OC(=O)C5=CC=CC=C5Cl)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC(=CC3=C(C4=CC=CC=C4C=C3)OC(=O)C5=CC=CC=C5Cl)C(=O)N2CC1

InChI

InChI=1S/C26H21ClN2O3/c27-21-11-6-5-10-20(21)26(31)32-24-18(14-13-17-8-3-4-9-19(17)24)16-22-25(30)29-15-7-1-2-12-23(29)28-22/h3-6,8-11,13-14,16H,1-2,7,12,15H2