3-[[1-(phenylmethyl)pyrazol-4-yl]methylamino]azepan-2-one

Systemtic Name: 3-[[1-(phenylmethyl)pyrazol-4-yl]methylamino]azepan-2-one Openeye Name: 3-[(1-benzylpyrazol-4-yl)methylamino]azepan-2-one CAS Name: 3-[[1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-azepanone IUPAC Name: 3-[(1-benzylpyrazol-4-yl)methylamino]azepan-2-one Traditional Name: 3-[(1-benzylpyrazol-4-yl)methylamino]azepan-2-one Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O/c22-17-16(8-4-5-9-18-17)19-10-15-11-20-21(13-15)12-14-6-2-1-3-7-14/h1-3,6-7,11,13,16,19H,4-5,8-10,12H2,(H,18,22)