4-(azepan-1-ylcarbonyl)-2-(2-methoxyethyl)-9-methyl-pyrido[3,4-b]indol-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(2-methoxyethyl)-9-methyl-pyrido[3,4-b]indol-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(2-methoxyethyl)-9-methyl-pyrido[3,4-b]indol-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(2-methoxyethyl)-9-methyl-1-pyrido[3,4-b]indolone IUPAC Name: 4-(azepane-1-carbonyl)-2-(2-methoxyethyl)-9-methylpyrido[3,4-b]indol-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(2-methoxyethyl)-9-methyl-$b-carbolin-1-one Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCCCCC4)CCOC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCCCCC4)CCOC

InChI

InChI=1S/C22H27N3O3/c1-23-18-10-6-5-9-16(18)19-17(21(26)24-11-7-3-4-8-12-24)15-25(13-14-28-2)22(27)20(19)23/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3