5-(1-adamantylcarbamoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(1-adamantylcarbamoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CN=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CN=CC=C6

InChI

InChI=1S/C28H35N5O2/c34-26(30-18-19-4-3-7-29-17-19)24-13-23(5-6-25(24)33-8-1-2-9-33)31-27(35)32-28-14-20-10-21(15-28)12-22(11-20)16-28/h3-7,13,17,20-22H,1-2,8-12,14-16,18H2,(H,30,34)(H2,31,32,35)