5-[(4-bromophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C24H24BrN5O2 MolecularWeight: 494.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Br)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H24BrN5O2/c25-18-5-7-19(8-6-18)28-24(32)29-20-9-10-22(30-12-1-2-13-30)21(14-20)23(31)27-16-17-4-3-11-26-15-17/h3-11,14-15H,1-2,12-13,16H2,(H,27,31)(H2,28,29,32)