N-(3-methylbutyl)-1-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-isopentyl-1-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-piperidyl]piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[1-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide Traditional Name: N-isoamyl-1-[1-[(E)-3-(4-nitrophenyl)acryloyl]-4-piperidyl]isonipecotamide Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H36N4O4/c1-19(2)9-14-26-25(31)21-10-15-27(16-11-21)22-12-17-28(18-13-22)24(30)8-5-20-3-6-23(7-4-20)29(32)33/h3-8,19,21-22H,9-18H2,1-2H3,(H,26,31)/b8-5+