N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H29N5O3/c1-15(2)21-23-16(3)13-20(25-21)26-7-9-27(10-8-26)22(28)24-17-5-6-18-19(14-17)30-12-4-11-29-18/h5-6,13-15H,4,7-12H2,1-3H3,(H,24,28)