N-[4-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H32N4O/c1-20-25(21(2)30(28-20)24-10-6-5-7-11-24)16-17-26(31)27-22-12-14-23(15-13-22)29-18-8-3-4-9-19-29/h5-7,10-15H,3-4,8-9,16-19H2,1-2H3,(H,27,31)