4-phenyl-1-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-phenyl-1-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 4-phenyl-1-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazino]-4-phenyl-butan-1-one Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)NCC3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NCC3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c31-25(13-7-12-21-8-3-1-4-9-21)30-18-16-29(17-19-30)24-15-14-23(27-28-24)26-20-22-10-5-2-6-11-22/h1-6,8-11,14-15H,7,12-13,16-20H2,(H,26,27)