N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclohexyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclohexyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclohexyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclohexyl)-2-(1-pyrrolidinyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclohexyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide Traditional Name: 4-(1-phenylcyclohexyl)-N-piperonyl-2-pyrrolidino-pyrimidine-5-carboxamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC=C2)C3=NC(=NC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)N6CCCC6

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC=C2)C3=NC(=NC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)N6CCCC6

InChI

InChI=1S/C29H32N4O3/c34-27(30-18-21-11-12-24-25(17-21)36-20-35-24)23-19-31-28(33-15-7-8-16-33)32-26(23)29(13-5-2-6-14-29)22-9-3-1-4-10-22/h1,3-4,9-12,17,19H,2,5-8,13-16,18,20H2,(H,30,34)