N,N-diethyl-2-[4-(4-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(4-pyrazol-1-ylphenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(4-pyrazol-1-ylbenzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-diethyl-2-[4-(4-pyrazol-1-ylbenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(4-pyrazol-1-ylbenzoyl)-1,4-diazepan-1-yl]acetamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCN(CC)C(=O)CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H29N5O2/c1-3-24(4-2)20(27)17-23-12-6-13-25(16-15-23)21(28)18-7-9-19(10-8-18)26-14-5-11-22-26/h5,7-11,14H,3-4,6,12-13,15-17H2,1-2H3