N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[4-(m-tolyl)piperazino]butyl]-3-propyl-phthalazine-1-carboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H35N5O2/c1-3-14-32-27(34)24-12-5-4-11-23(24)25(29-32)26(33)28-13-6-7-15-30-16-18-31(19-17-30)22-10-8-9-21(2)20-22/h4-5,8-12,20H,3,6-7,13-19H2,1-2H3,(H,28,33)