N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(2-methylphenyl)carbonyl-N-pentyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(2-methylphenyl)carbonyl-N-pentyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-(2-methylbenzoyl)-N-pentyl-piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-[(2-methylphenyl)-oxomethyl]-N-pentyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-methylbenzoyl)-N-pentylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-1-o-toluoyl-isonipecotamide Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C27H39N5O4/c1-4-6-10-16-31(22-23(28)32(15-7-5-2)27(36)29-24(22)33)25(34)20-13-17-30(18-14-20)26(35)21-12-9-8-11-19(21)3/h8-9,11-12,20H,4-7,10,13-18,28H2,1-3H3,(H,29,33,36)