N-tert-butyl-3-[[4-[3-chloranyl-4-(cyclopropylmethylcarbamoylamino)phenyl]carbonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-tert-butyl-3-[[4-[3-chloranyl-4-(cyclopropylmethylcarbamoylamino)phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[3-chloro-4-[[(cyclopropylmethylamino)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclopropylmethylcarbamoylamino)benzoyl]piperazino]methyl]benzamide Formula: C28H36ClN5O3 MolecularWeight: 526.07014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC4CC4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC4CC4)Cl

InChI

InChI=1S/C28H36ClN5O3/c1-28(2,3)32-25(35)21-6-4-5-20(15-21)18-33-11-13-34(14-12-33)26(36)22-9-10-24(23(29)16-22)31-27(37)30-17-19-7-8-19/h4-6,9-10,15-16,19H,7-8,11-14,17-18H2,1-3H3,(H,32,35)(H2,30,31,37)