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

Systemtic Name: 5-(4-methoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 6-[2-(isopropylamino)propyl]-5-(4-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one CAS Name: 5-(4-methoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-(4-methoxyphenyl)-6-[2-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 6-[2-(isopropylamino)propyl]-5-(4-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one Formula: C19H28N2O2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-13(2)21-14(3)12-18-17(6-5-11-20-19(18)22)15-7-9-16(23-4)10-8-15/h7-10,13-14,21H,5-6,11-12H2,1-4H3,(H,20,22)