4-[4-(phenylmethyl)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-(2-pyrrolidinoethyl)phthalazine-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O/c33-27(28-14-19-31-15-6-7-16-31)25-23-10-4-5-11-24(23)26(30-29-25)32-17-12-22(13-18-32)20-21-8-2-1-3-9-21/h1-5,8-11,22H,6-7,12-20H2,(H,28,33)