(4-methyl-1,4-diazepan-1-yl)-[8-methyl-2-(1-propylpyrazol-4-yl)quinolin-4-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-[8-methyl-2-(1-propylpyrazol-4-yl)quinolin-4-yl]methanone Openeye Name: (4-methyl-1,4-diazepan-1-yl)-[8-methyl-2-(1-propylpyrazol-4-yl)-4-quinolyl]methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-[8-methyl-2-(1-propyl-4-pyrazolyl)-4-quinolinyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-[8-methyl-2-(1-propylpyrazol-4-yl)quinolin-4-yl]methanone Traditional Name: (4-methyl-1,4-diazepan-1-yl)-[8-methyl-2-(1-propylpyrazol-4-yl)-4-quinolyl]methanone Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=N1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)N4CCCN(CC4)C

Isomeric SMILES

CCCN1C=C(C=N1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)N4CCCN(CC4)C

InChI

InChI=1S/C23H29N5O/c1-4-9-28-16-18(15-24-28)21-14-20(19-8-5-7-17(2)22(19)25-21)23(29)27-11-6-10-26(3)12-13-27/h5,7-8,14-16H,4,6,9-13H2,1-3H3