7,8-dimethyl-2-[4-(2-phenoxyethanoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile

Systemtic Name: 7,8-dimethyl-2-[4-(2-phenoxyethanoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 7,8-dimethyl-2-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 7,8-dimethyl-2-[4-(1-oxo-2-phenoxyethyl)-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 7,8-dimethyl-2-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 7,8-dimethyl-2-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)COC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)COC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C25H26N4O2/c1-18-9-10-20-15-21(16-26)25(27-24(20)19(18)2)29-12-6-11-28(13-14-29)23(30)17-31-22-7-4-3-5-8-22/h3-5,7-10,15H,6,11-14,17H2,1-2H3