5-(3,4-dimethoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 5-(3,4-dimethoxyphenyl)-6-[2-(isopropylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one CAS Name: 5-(3,4-dimethoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 5-(3,4-dimethoxyphenyl)-6-[2-(isopropylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-13(2)22-14(3)11-17-16(7-6-10-21-20(17)23)15-8-9-18(24-4)19(12-15)25-5/h8-9,12-14,22H,6-7,10-11H2,1-5H3,(H,21,23)