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

Systemtic Name: 5-[(3-bromophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-benzamide Openeye Name: 5-[(3-bromophenyl)carbamoylamino]-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 5-[[(3-bromoanilino)-oxomethyl]amino]-N-(2-oxolanylmethyl)-2-(1-piperidinyl)benzamide IUPAC Name: 5-[(3-bromophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide Traditional Name: 5-[(3-bromophenyl)carbamoylamino]-2-piperidino-N-(tetrahydrofurfuryl)benzamide Formula: C24H29BrN4O3 MolecularWeight: 501.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)C(=O)NCC4CCCO4

InChI

InChI=1S/C24H29BrN4O3/c25-17-6-4-7-18(14-17)27-24(31)28-19-9-10-22(29-11-2-1-3-12-29)21(15-19)23(30)26-16-20-8-5-13-32-20/h4,6-7,9-10,14-15,20H,1-3,5,8,11-13,16H2,(H,26,30)(H2,27,28,31)