4-[6-[[5-oxidanylidene-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-2-yl]methylamino]pyridazin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[6-[[5-oxidanylidene-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-2-yl]methylamino]pyridazin-3-yl]benzenecarbonitrile Openeye Name: 4-[6-[[4-allyl-5-oxo-1-(3-phenylpropyl)pyrrolidin-2-yl]methylamino]pyridazin-3-yl]benzonitrile CAS Name: 4-[6-[[5-oxo-1-(3-phenylpropyl)-4-prop-2-enyl-2-pyrrolidinyl]methylamino]-3-pyridazinyl]benzonitrile IUPAC Name: 4-[6-[[5-oxo-1-(3-phenylpropyl)-4-prop-2-enylpyrrolidin-2-yl]methylamino]pyridazin-3-yl]benzonitrile Traditional Name: 4-[6-[[4-allyl-5-keto-1-(3-phenylpropyl)pyrrolidin-2-yl]methylamino]pyridazin-3-yl]benzonitrile Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CC(N(C1=O)CCCC2=CC=CC=C2)CNC3=NN=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C=CCC1CC(N(C1=O)CCCC2=CC=CC=C2)CNC3=NN=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H29N5O/c1-2-7-24-18-25(33(28(24)34)17-6-10-21-8-4-3-5-9-21)20-30-27-16-15-26(31-32-27)23-13-11-22(19-29)12-14-23/h2-5,8-9,11-16,24-25H,1,6-7,10,17-18,20H2,(H,30,32)