N-(1-adamantylmethyl)-2-chloranyl-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)benzamide Formula: C23H30ClN3O MolecularWeight: 399.9568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=CN(C1)CC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN=CN(C1)CC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30ClN3O/c24-21-3-2-16(13-27-5-1-4-25-15-27)9-20(21)22(28)26-14-23-10-17-6-18(11-23)8-19(7-17)12-23/h2-3,9,15,17-19H,1,4-8,10-14H2,(H,26,28)