4-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H29ClN4O2/c1-15(2)22-24-16(3)11-20(25-22)27-7-5-26(6-8-27)14-17-12-18(23)21-19(13-17)28-9-4-10-29-21/h11-13,15H,4-10,14H2,1-3H3