1-methyl-7-(2-pyrrolidin-1-ylethylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione

Systemtic Name: 1-methyl-7-(2-pyrrolidin-1-ylethylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione Openeye Name: 1-methyl-7-(2-pyrrolidin-1-ylethylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione CAS Name: 1-methyl-7-[2-(1-pyrrolidinyl)ethylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione IUPAC Name: 1-methyl-7-(2-pyrrolidin-1-ylethylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione Traditional Name: 1-methyl-7-(2-pyrrolidinoethylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC3=C(N2)C4=C(C(=C3)NCCN5CCCC5)C(=O)C6=CC=CC=C6C4=O

Isomeric SMILES

CC1=C2C(=CC=C1)OC3=C(N2)C4=C(C(=C3)NCCN5CCCC5)C(=O)C6=CC=CC=C6C4=O

InChI

InChI=1S/C27H25N3O3/c1-16-7-6-10-20-24(16)29-25-21(33-20)15-19(28-11-14-30-12-4-5-13-30)22-23(25)27(32)18-9-3-2-8-17(18)26(22)31/h2-3,6-10,15,28-29H,4-5,11-14H2,1H3