[6-chloranyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2,4-dimethyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-chloranyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2,4-dimethyl-1,4-diazepan-1-yl)methanone Openeye Name: [6-chloro-2-(1-methylpyrazol-4-yl)-4-quinolyl]-(2,4-dimethyl-1,4-diazepan-1-yl)methanone CAS Name: [6-chloro-2-(1-methyl-4-pyrazolyl)-4-quinolinyl]-(2,4-dimethyl-1,4-diazepan-1-yl)methanone IUPAC Name: [6-chloro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2,4-dimethyl-1,4-diazepan-1-yl)methanone Traditional Name: [6-chloro-2-(1-methylpyrazol-4-yl)-4-quinolyl]-(2,4-dimethyl-1,4-diazepan-1-yl)methanone Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN(N=C4)C)C

Isomeric SMILES

CC1CN(CCCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN(N=C4)C)C

InChI

InChI=1S/C21H24ClN5O/c1-14-12-25(2)7-4-8-27(14)21(28)18-10-20(15-11-23-26(3)13-15)24-19-6-5-16(22)9-17(18)19/h5-6,9-11,13-14H,4,7-8,12H2,1-3H3