N-[5-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]pentyl]-4-chloranyl-benzamide

Systemtic Name: N-[5-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]pentyl]-4-chloranyl-benzamide Openeye Name: N-[5-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]pentyl]-4-chloro-benzamide CAS Name: N-[5-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]pentyl]-4-chlorobenzamide IUPAC Name: N-[5-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]pentyl]-4-chlorobenzamide Traditional Name: N-[5-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]pentyl]-4-chloro-benzamide Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CNCCCCCNC(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CNCCCCCNC(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C22H27ClN4O2/c1-15-21(24)27-19-13-16(5-10-20(19)29-15)14-25-11-3-2-4-12-26-22(28)17-6-8-18(23)9-7-17/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H2,24,27)(H,26,28)