1-[4-(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(1-methyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[1-methyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(1-methyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=C(N(N=C2)C)N3C=CC=C3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=C(N(N=C2)C)N3C=CC=C3

InChI

InChI=1S/C16H21N5O2/c1-13(22)19-8-5-9-21(11-10-19)16(23)14-12-17-18(2)15(14)20-6-3-4-7-20/h3-4,6-7,12H,5,8-11H2,1-2H3