5-[(2-ethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(2-ethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2-ethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2-ethylanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2-ethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(2-ethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H29N5O2/c1-2-20-9-3-4-10-23(20)30-26(33)29-21-11-12-24(31-14-5-6-15-31)22(16-21)25(32)28-18-19-8-7-13-27-17-19/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3,(H,28,32)(H2,29,30,33)