3-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]azepan-2-one

Systemtic Name: 3-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]azepan-2-one Openeye Name: 3-[(1-benzylpyrrolidin-3-yl)amino]azepan-2-one CAS Name: 3-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]-2-azepanone IUPAC Name: 3-[(1-benzylpyrrolidin-3-yl)amino]azepan-2-one Traditional Name: 3-[(1-benzylpyrrolidin-3-yl)amino]azepan-2-one Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O/c21-17-16(8-4-5-10-18-17)19-15-9-11-20(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,18,21)