3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one CAS Name: 3-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-7-phenoxy-1,2,3-benzotriazin-4-one Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)N=N2)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)N=N2)OCCN5CCCC5

InChI

InChI=1S/C26H26N4O4/c1-32-25-17-19(9-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-11-10-21(18-23(22)27-28-30)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3