N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-nitro-benzamide Openeye Name: N-[4-[butyl(2-furylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[4-[butyl(2-furfuryl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCCC4

Isomeric SMILES

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCCC4

InChI

InChI=1S/C27H30N4O5/c1-2-3-14-30(19-23-7-6-17-36-23)25-13-10-21(18-24(25)27(33)29-15-4-5-16-29)28-26(32)20-8-11-22(12-9-20)31(34)35/h6-13,17-18H,2-5,14-16,19H2,1H3,(H,28,32)