7-methyl-2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile

Systemtic Name: 7-methyl-2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 7-methyl-2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 7-methyl-2-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 7-methyl-2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 7-methyl-2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H24N4O/c1-18-8-9-20-16-21(17-25)24(26-22(20)14-18)28-11-5-10-27(12-13-28)23(29)15-19-6-3-2-4-7-19/h2-4,6-9,14,16H,5,10-13,15H2,1H3