5-[(2,6-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2,6-dimethylanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

InChI

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