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

Systemtic Name: 5-[(2-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(o-tolylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2-methylanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(o-tolylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-18-7-2-3-9-22(18)29-25(32)28-20-10-11-23(30-13-4-5-14-30)21(15-20)24(31)27-17-19-8-6-12-26-16-19/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3,(H,27,31)(H2,28,29,32)