N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(4-chlorophenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(4-chlorophenyl)-4-oxidanylidene-butanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(4-chlorophenyl)-4-oxo-butanamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-(4-chlorophenyl)-4-oxobutanamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(4-chlorophenyl)-4-oxobutanamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(4-chlorophenyl)-4-keto-butyramide Formula: C26H27ClN4O2 MolecularWeight: 462.97118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN4O2/c27-21-10-8-19(9-11-21)24(32)13-15-26(33)28-22-7-5-6-20(18-22)23-12-14-25(30-29-23)31-16-3-1-2-4-17-31/h5-12,14,18H,1-4,13,15-17H2,(H,28,33)