3-[(5-phenylthiophen-2-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(5-phenylthiophen-2-yl)methylamino]azepan-2-one Openeye Name: 3-[(5-phenyl-2-thienyl)methylamino]azepan-2-one CAS Name: 3-[(5-phenyl-2-thiophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(5-phenylthiophen-2-yl)methylamino]azepan-2-one Traditional Name: 3-[(5-phenyl-2-thienyl)methylamino]azepan-2-one Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(S2)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2OS/c20-17-15(8-4-5-11-18-17)19-12-14-9-10-16(21-14)13-6-2-1-3-7-13/h1-3,6-7,9-10,15,19H,4-5,8,11-12H2,(H,18,20)