(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCCN(CC2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCCN(CC2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-18-21(22(24)28(25-18)20-11-6-3-7-12-20)23(29)27-14-8-13-26(15-16-27)17-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3