6-(2-azanylpropyl)-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one hydrochloride

Systemtic Name: 6-(2-azanylpropyl)-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one hydrochloride Openeye Name: 6-(2-aminopropyl)-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one hydrochloride CAS Name: 6-(2-aminopropyl)-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one hydrochloride IUPAC Name: 6-(2-aminopropyl)-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one hydrochloride Traditional Name: 6-(2-aminopropyl)-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one hydrochloride Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC)N.Cl

Isomeric SMILES

CC(CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC)N.Cl

InChI

InChI=1S/C16H22N2O2.ClH/c1-11(17)9-15-14(7-4-8-18-16(15)19)12-5-3-6-13(10-12)20-2;/h3,5-6,10-11H,4,7-9,17H2,1-2H3,(H,18,19);1H