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

Systemtic Name: 5-[(3-ethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(3-ethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(3-ethylanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(3-ethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(3-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=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H29N5O2/c1-2-19-7-5-9-21(15-19)29-26(33)30-22-10-11-24(31-13-3-4-14-31)23(16-22)25(32)28-18-20-8-6-12-27-17-20/h5-12,15-17H,2-4,13-14,18H2,1H3,(H,28,32)(H2,29,30,33)