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

Systemtic Name: 5-[(4-propan-2-ylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-isopropylphenyl)carbamoylamino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[oxo-(4-propan-2-ylanilino)methyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-propan-2-ylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(p-cumenylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C27H31N5O2/c1-19(2)21-7-9-22(10-8-21)30-27(34)31-23-11-12-25(32-14-3-4-15-32)24(16-23)26(33)29-18-20-6-5-13-28-17-20/h5-13,16-17,19H,3-4,14-15,18H2,1-2H3,(H,29,33)(H2,30,31,34)