2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-7-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4CC4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4CC4)C#N

InChI

InChI=1S/C20H22N4O/c1-14-3-4-16-12-17(13-21)19(22-18(16)11-14)23-7-2-8-24(10-9-23)20(25)15-5-6-15/h3-4,11-12,15H,2,5-10H2,1H3