(5R)-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-propyl-azepan-2-one

Systemtic Name: (5R)-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-propyl-azepan-2-one Openeye Name: (5R)-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-propyl-azepan-2-one CAS Name: (5R)-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-propyl-2-azepanone IUPAC Name: (5R)-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-propylazepan-2-one Traditional Name: (5R)-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-propyl-azepan-2-one Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CCC1=O)N(C)C(C)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCCN1CC[C@@H](CCC1=O)N(C)[C@@H](C)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O/c1-4-13-25-14-12-18(10-11-21(25)26)24(3)16(2)19-15-20(23-22-19)17-8-6-5-7-9-17/h5-9,15-16,18H,4,10-14H2,1-3H3,(H,22,23)/t16-,18+/m0/s1