N-[4-(azepan-1-yl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-6-keto-pyridazine-3-carboxamide Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c29-23-15-14-22(26-28(23)18-19-8-4-3-5-9-19)24(30)25-20-10-12-21(13-11-20)27-16-6-1-2-7-17-27/h3-5,8-15H,1-2,6-7,16-18H2,(H,25,30)