3-methyl-N-[[4-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]phenyl]methyl]butanamide

Systemtic Name: 3-methyl-N-[[4-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]phenyl]methyl]butanamide Openeye Name: N-[[4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]phenyl]methyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[[4-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]phenyl]methyl]butanamide IUPAC Name: N-[[4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]phenyl]methyl]-3-methylbutanamide Traditional Name: N-[4-[4-(4-benzylphthalazin-1-yl)piperazino]benzyl]-3-methyl-butyramide Formula: C31H35N5O MolecularWeight: 493.6425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(=O)NCC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N5O/c1-23(2)20-30(37)32-22-25-12-14-26(15-13-25)35-16-18-36(19-17-35)31-28-11-7-6-10-27(28)29(33-34-31)21-24-8-4-3-5-9-24/h3-15,23H,16-22H2,1-2H3,(H,32,37)