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

Systemtic Name: 5-[(3-cyanophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-benzamide Openeye Name: 5-[(3-cyanophenyl)carbamoylamino]-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 5-[[(3-cyanoanilino)-oxomethyl]amino]-N-(2-oxolanylmethyl)-2-(1-piperidinyl)benzamide IUPAC Name: 5-[(3-cyanophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide Traditional Name: 5-[(3-cyanophenyl)carbamoylamino]-2-piperidino-N-(tetrahydrofurfuryl)benzamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c26-16-18-6-4-7-19(14-18)28-25(32)29-20-9-10-23(30-11-2-1-3-12-30)22(15-20)24(31)27-17-21-8-5-13-33-21/h4,6-7,9-10,14-15,21H,1-3,5,8,11-13,17H2,(H,27,31)(H2,28,29,32)