N-(2-adamantyl)-4-[5-(4-methoxyphenyl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide

Systemtic Name: N-(2-adamantyl)-4-[5-(4-methoxyphenyl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide Openeye Name: N-(2-adamantyl)-4-[5-(4-methoxyphenyl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide CAS Name: N-(2-adamantyl)-4-[5-(4-methoxyphenyl)-2-pyrimidinyl]-2,3-dihydroquinoxaline-1-carboxamide IUPAC Name: N-(2-adamantyl)-4-[5-(4-methoxyphenyl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide Traditional Name: N-(2-adamantyl)-4-[5-(4-methoxyphenyl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5C6CC7CC(C6)CC5C7

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C30H33N5O2/c1-37-25-8-6-21(7-9-25)24-17-31-29(32-18-24)34-10-11-35(27-5-3-2-4-26(27)34)30(36)33-28-22-13-19-12-20(15-22)16-23(28)14-19/h2-9,17-20,22-23,28H,10-16H2,1H3,(H,33,36)