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

Systemtic Name: (1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-methyl-5-(1-pyrrolyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3)N4C=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCCN(CC2)CC3=CC=CS3)N4C=CC=C4

InChI

InChI=1S/C19H23N5OS/c1-21-18(23-8-2-3-9-23)17(14-20-21)19(25)24-10-5-7-22(11-12-24)15-16-6-4-13-26-16/h2-4,6,8-9,13-14H,5,7,10-12,15H2,1H3