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

Systemtic Name: 4-oxidanylidene-N-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-[(4-benzylpiperazino)methyl]phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O2/c1-2-16-35-30(37)27-11-7-6-10-26(27)28(32-35)29(36)31-25-14-12-24(13-15-25)22-34-19-17-33(18-20-34)21-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3,(H,31,36)