2-[4-(4-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-6-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-6-ethoxy-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-6-ethoxy-quinoline-3-carbonitrile CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-6-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-6-ethoxyquinoline-3-carbonitrile Traditional Name: 2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-6-ethoxy-quinoline-3-carbonitrile Formula: C24H23ClN4O2 MolecularWeight: 434.91802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN4O2/c1-2-31-21-8-9-22-18(15-21)14-19(16-26)23(27-22)28-10-3-11-29(13-12-28)24(30)17-4-6-20(25)7-5-17/h4-9,14-15H,2-3,10-13H2,1H3