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

Systemtic Name: 5-[(3-bromophenyl)carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(3-bromophenyl)carbamoylamino]-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(3-bromoanilino)-oxomethyl]amino]-2-(1-piperidinyl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(3-bromophenyl)carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(3-bromophenyl)carbamoylamino]-2-piperidino-N-(3-pyridylmethyl)benzamide Formula: C25H26BrN5O2 MolecularWeight: 508.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H26BrN5O2/c26-19-7-4-8-20(14-19)29-25(33)30-21-9-10-23(31-12-2-1-3-13-31)22(15-21)24(32)28-17-18-6-5-11-27-16-18/h4-11,14-16H,1-3,12-13,17H2,(H,28,32)(H2,29,30,33)