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

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-[4-(m-tolyl)piperazino]propyl]phthalazine-1-carboxamide Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O2/c1-23-9-7-12-25(21-23)34-19-17-33(18-20-34)16-8-15-31-29(36)28-26-13-5-6-14-27(26)30(37)35(32-28)22-24-10-3-2-4-11-24/h2-7,9-14,21H,8,15-20,22H2,1H3,(H,31,36)