(4-nitrophenyl)methyl N-[1-[4-(benzimidazol-1-yl)-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-[4-(benzimidazol-1-yl)-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-[4-(benzimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-(1-benzimidazolyl)-3-phenylbutyl]-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-[4-(benzimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-[4-(benzimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C33H37N5O4 MolecularWeight: 567.67798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCN(CC1)CCC(CN2C=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1CCN(CC1)CCC(CN2C=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-24-26-12-14-30(15-13-26)38(40)41)29-17-21-35(22-18-29)20-16-28(27-8-4-3-5-9-27)23-36-25-34-31-10-6-7-11-32(31)36/h2-15,25,28-29H,1,16-24H2