[4-[(3,4-dimethoxyphenyl)amino]-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)amino]-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-(3,4-dimethoxyanilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(3,4-dimethoxyanilino)-2-phenyl-5-pyrimidinyl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(3,4-dimethoxyanilino)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(3,4-dimethoxyanilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-29-12-7-13-30(15-14-29)25(31)20-17-26-23(18-8-5-4-6-9-18)28-24(20)27-19-10-11-21(32-2)22(16-19)33-3/h4-6,8-11,16-17H,7,12-15H2,1-3H3,(H,26,27,28)