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

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methoxy-1-phenylpyrazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CCCN(CC2)CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CCCN(CC2)CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-27-19-16-25(17-7-3-2-4-8-17)22-20(19)21(26)24-11-6-10-23(12-13-24)15-18-9-5-14-28-18/h2-5,7-9,14,16H,6,10-13,15H2,1H3