6-(cyclopropylmethoxy)-4-(1,5-dimethylpyrazol-3-yl)carbonyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-(cyclopropylmethoxy)-4-(1,5-dimethylpyrazol-3-yl)carbonyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-(cyclopropylmethoxy)-4-(1,5-dimethylpyrazole-3-carbonyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-(cyclopropylmethoxy)-4-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-(cyclopropylmethoxy)-4-(1,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-(cyclopropylmethoxy)-4-(1,5-dimethylpyrazole-3-carbonyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4CC4

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4CC4

InChI

InChI=1S/C21H27N5O3/c1-15-8-19(23-24(15)2)21(28)26-12-18(29-14-16-5-6-16)11-25(20(27)13-26)10-17-4-3-7-22-9-17/h3-4,7-9,16,18H,5-6,10-14H2,1-2H3