5-(3-methoxyphenyl)-6-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydroazepin-7-one

Systemtic Name: 5-(3-methoxyphenyl)-6-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 5-(3-methoxyphenyl)-6-[2-(1-piperidyl)propyl]-1,2,3,4-tetrahydroazepin-7-one CAS Name: 5-(3-methoxyphenyl)-6-[2-(1-piperidinyl)propyl]-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-(3-methoxyphenyl)-6-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 5-(3-methoxyphenyl)-6-(2-piperidinopropyl)-1,2,3,4-tetrahydroazepin-7-one Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC)N3CCCCC3

Isomeric SMILES

CC(CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC)N3CCCCC3

InChI

InChI=1S/C21H30N2O2/c1-16(23-12-4-3-5-13-23)14-20-19(10-7-11-22-21(20)24)17-8-6-9-18(15-17)25-2/h6,8-9,15-16H,3-5,7,10-14H2,1-2H3,(H,22,24)