(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCCN(CC2)CC3=CC=CS3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCCN(CC2)CC3=CC=CS3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4OS/c1-16-19(20(22)26(23-16)17-7-3-2-4-8-17)21(27)25-11-6-10-24(12-13-25)15-18-9-5-14-28-18/h2-5,7-9,14H,6,10-13,15H2,1H3