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

Systemtic Name: 5-(3-methoxyphenyl)-6-(2-pyrrolidin-1-ylpropyl)-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 5-(3-methoxyphenyl)-6-(2-pyrrolidin-1-ylpropyl)-1,2,3,4-tetrahydroazepin-7-one CAS Name: 5-(3-methoxyphenyl)-6-[2-(1-pyrrolidinyl)propyl]-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-(3-methoxyphenyl)-6-(2-pyrrolidin-1-ylpropyl)-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 5-(3-methoxyphenyl)-6-(2-pyrrolidinopropyl)-1,2,3,4-tetrahydroazepin-7-one Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC)N3CCCC3

Isomeric SMILES

CC(CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC)N3CCCC3

InChI

InChI=1S/C20H28N2O2/c1-15(22-11-3-4-12-22)13-19-18(9-6-10-21-20(19)23)16-7-5-8-17(14-16)24-2/h5,7-8,14-15H,3-4,6,9-13H2,1-2H3,(H,21,23)