(E)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-(2-oxoazepan-1-yl)propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[3-(2-oxo-1-azepanyl)propyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-oxoazepan-1-yl)propyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-(2-ketoazepan-1-yl)propyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c26-20(22-13-7-15-24-14-6-2-5-10-21(24)27)12-11-18-16-23-25(17-18)19-8-3-1-4-9-19/h1,3-4,8-9,11-12,16-17H,2,5-7,10,13-15H2,(H,22,26)/b12-11+