[4-(2-azanylethyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone

Systemtic Name: [4-(2-azanylethyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C12H21N5O MolecularWeight: 251.32804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CCCN(CC2)CCN

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CCCN(CC2)CCN

InChI

InChI=1S/C12H21N5O/c1-15-10-11(9-14-15)12(18)17-5-2-4-16(6-3-13)7-8-17/h9-10H,2-8,13H2,1H3