N-[(3-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(3-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3-ethoxyphenyl)methyl]-3-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-ethoxybenzyl)-3-[(4-fluorobenzyl)carbamoylamino]-4-pyrrolidino-benzamide Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)NC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)NC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H31FN4O3/c1-2-36-24-7-5-6-21(16-24)19-30-27(34)22-10-13-26(33-14-3-4-15-33)25(17-22)32-28(35)31-18-20-8-11-23(29)12-9-20/h5-13,16-17H,2-4,14-15,18-19H2,1H3,(H,30,34)(H2,31,32,35)