1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-(2-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-4-(2-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-(2-naphthylsulfonyl)-1,4-diazepane Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(C)C

InChI

InChI=1S/C29H32N4O2S/c1-21(2)27-22(3)30-28(24-11-5-4-6-12-24)31-29(27)32-16-9-17-33(19-18-32)36(34,35)26-15-14-23-10-7-8-13-25(23)20-26/h4-8,10-15,20-21H,9,16-19H2,1-3H3